SCHEMBL18170717

SCHEMBL18170717

O=C(Nc1ccc(-c2cccc3ncoc23)c2c1C(=O)NC2)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.45
KDR P35968 4/20 0.43
STK33 Q9BYT3 1/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
PARP1 P09874 1/20 0.35
POLB P06746 2/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18170556 0.85 KDR (0.43) KDRPARP1CDK2BTKCSF1R
SCHEMBL18170790 0.84 KDR (0.41) KDRKDM4EALDH1A1HPGDPARP1
SCHEMBL18170803 0.84 KDR (0.46) CASP3KDRSTK33HTTKDM4E
SCHEMBL18170614 0.83 KDR (0.40) KDRKDM4EALDH1A1HPGDPARP1
SCHEMBL18170885 0.83 KDR (0.40) KDRKDM4EALDH1A1HPGDPARP1
SCHEMBL18170449 0.83 CYP1A2 (0.47) CASP3KDRSTK33HTTKDM4E
SCHEMBL18170978 0.82 CHRNA7 (0.41) KDRCYP3A4
SCHEMBL18170620 0.80 KDR (0.45) CASP3KDRSTK33KDM4EALDH1A1
SCHEMBL18170951 0.80 CASP3 (0.51) CASP3KDRSTK33HTTKDM4E
SCHEMBL18170812 0.79 CASP3 (0.48) CASP3KDRSTK33HTTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA CASP3 2056/4885KDR 1662/4885STK33 357/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.